SCHEMBL4412607

SCHEMBL4412607

OC[C@H](O)[C@@H](O)COOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4411606 0.89 CA1 (0.41) CA1CA2CA7CA9KMT2A
SCHEMBL4409725 0.89 CA1 (0.41) CA1CA2CA7CA9KMT2A
SCHEMBL7783457 0.83 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL9694660 0.83 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL13595511 0.83 KMT2A (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL9725029 0.83 KMT2A (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL4169644 0.83 KMT2A (0.58) CA1CA2CA7CA9KMT2A
SCHEMBL620071 0.80 CA1 (0.53) CA1CA2CA7CA9TSHR
Bicarbonate SCHEMBL1988294 0.79 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL13424904 0.75 TRPA1 (0.36) CA1CA2CA7CA9KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY 2009-12-24 US disclosed
EP-1812017-A2 OPHTHAMOLOGICAL DRUGS Duke University (US) 2007-08-01 EP disclosed
US-20060135609-A1 Ophthamological drugs DUKE UNIVERSITY (US) 2006-06-22 US disclosed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060135609-A1 Ophthamological drugs QDPR, PTGIR, PDE6C CA1 1914/4885CA2 148/4885CA7 241/4885
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C CA1 1965/4885CA2 136/4885CA7 275/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.